# [−]Struct lumol::energy::LennardJones

Lennard-Jones potential.

$$ V(r) = 4 * \epsilon * \left[ \left(\frac \sigma r \right)^{12} - \left(\frac \sigma r \right)^6 \right] $$

where $\sigma$ is the Lennard-Jones distance constant, and $\epsilon$ the energetic constant.

# Examples

let potential = LennardJones { sigma: 2.0, epsilon: 10.0 }; assert_eq!(potential.energy(2.0), 0.0); assert_eq!(potential.energy(3.0), -3.203365942785746); assert_eq!(potential.force(2.0), 120.0);

## Fields

`sigma: f64`

Distance constant of the Lennard-Jones potential

`epsilon: f64`

Energy constant of the Lennard-Jones potential

## Trait Implementations

`impl Copy for LennardJones`

`impl Clone for LennardJones`

`fn clone(&self) -> LennardJones`

`fn clone_from(&mut self, source: &Self)`

1.0.0[src]

Performs copy-assignment from `source`

. Read more

`impl PairPotential for LennardJones`

`fn tail_energy(&self, cutoff: f64) -> f64`

`fn tail_virial(&self, cutoff: f64) -> f64`

`fn virial(&self, r: &Vector3D) -> Matrix3`

Compute the virial contribution corresponding to the distance `r`

between the particles. Read more

`impl Potential for LennardJones`

`impl FromToml for LennardJones`

## Auto Trait Implementations

`impl Send for LennardJones`

`impl Sync for LennardJones`

## Blanket Implementations

`impl<T> From for T`

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`impl<T, U> Into for T where`

U: From<T>,

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U: From<T>,

`impl<T> ToOwned for T where`

T: Clone,

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T: Clone,

`impl<T, U> TryFrom for T where`

T: From<U>,

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T: From<U>,

`type Error = !`

🔬 This is a nightly-only experimental API. (

`try_from`

)The type returned in the event of a conversion error.

`fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>`

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`impl<T> Borrow for T where`

T: ?Sized,

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T: ?Sized,

`impl<T> BorrowMut for T where`

T: ?Sized,

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T: ?Sized,

`fn borrow_mut(&mut self) -> &mut T`

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`impl<T, U> TryInto for T where`

U: TryFrom<T>,

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U: TryFrom<T>,

`type Error = <U as TryFrom<T>>::Error`

🔬 This is a nightly-only experimental API. (

`try_from`

)The type returned in the event of a conversion error.

`fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>`

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`impl<T> Any for T where`

T: 'static + ?Sized,

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T: 'static + ?Sized,

`fn get_type_id(&self) -> TypeId`

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`impl<P> Potential for P where`

P: 'static + Computation + Clone,

P: 'static + Computation + Clone,